Elsevier

Chemical Physics Letters

Volume 85, Issues 5–6, 29 January 1982, Pages 493-495
Chemical Physics Letters

The preferred structure of C2H2

https://doi.org/10.1016/0009-2614(82)80343-6Get rights and content

Abstract

Alternative structures for C2H2 have been investigated by ab initio calculations using augmented basis sets. Results indicate both cis bent and trans bent acetylene-like HCCH alternatives are unstable towards electron loss. The electron affinity of vinylidene, H2CC:, is found to be positive. Hence, the resulting anion, H2CC, is indicated to be the observed long-lived C2H2 species.

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